2-prop-2-enyl-2-(trifluoromethyl)cyclohexan-1-one

C10H13F3O — CID 24749464

IUPAC2-prop-2-enyl-2-(trifluoromethyl)cyclohexan-1-one
SMILESC=CCC1(C(F)(F)F)CCCCC1=O
InChIInChI=1S/C10H13F3O/c1-2-6-9(10(11,12)13)7-4-3-5-8(9)14/h2H,1,3-7H2
InChIKeyLJRNYBKWUFMWTI-UHFFFAOYSA-N
MW206.21 g/mol
LogP3.25
Rot. Bonds2

About 2-prop-2-enyl-2-(trifluoromethyl)cyclohexan-1-one

2-prop-2-enyl-2-(trifluoromethyl)cyclohexan-1-one (PubChem CID 24749464) has the molecular formula C10H13F3O and a molecular weight of 206.21 g/mol. Its IUPAC name is 2-prop-2-enyl-2-(trifluoromethyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-prop-2-enyl-2-(trifluoromethyl)cyclohexan-1-one
PubChem CID24749464
Molecular FormulaC10H13F3O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name2-prop-2-enyl-2-(trifluoromethyl)cyclohexan-1-one
SMILESC=CCC1(C(F)(F)F)CCCCC1=O
InChIInChI=1S/C10H13F3O/c1-2-6-9(10(11,12)13)7-4-3-5-8(9)14/h2H,1,3-7H2
InChIKeyLJRNYBKWUFMWTI-UHFFFAOYSA-N
XLogP3.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-2-(trifluoromethyl)cyclohexan-1-one?
The IUPAC name of 2-prop-2-enyl-2-(trifluoromethyl)cyclohexan-1-one (CID 24749464) is 2-prop-2-enyl-2-(trifluoromethyl)cyclohexan-1-one.
What is the SMILES notation for 2-prop-2-enyl-2-(trifluoromethyl)cyclohexan-1-one?
The canonical SMILES for 2-prop-2-enyl-2-(trifluoromethyl)cyclohexan-1-one is C=CCC1(C(F)(F)F)CCCCC1=O.
What is the InChIKey of 2-prop-2-enyl-2-(trifluoromethyl)cyclohexan-1-one?
The InChIKey is LJRNYBKWUFMWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O/c1-2-6-9(10(11,12)13)7-4-3-5-8(9)14/h2H,1,3-7H2.
What are the key properties of 2-prop-2-enyl-2-(trifluoromethyl)cyclohexan-1-one?
2-prop-2-enyl-2-(trifluoromethyl)cyclohexan-1-one has a molecular weight of 206.21 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-2-(trifluoromethyl)cyclohexan-1-one is sourced from PubChem (CID 24749464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).